SCHEMBL3286189

SCHEMBL3286189

CCCc1cc(C(C)c2ccc(O)cc2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.53
ESR2 Q92731 6/20 0.53
PDCD1 Q15116 1/20 0.53
CD274 Q9NZQ7 1/20 0.53
ALOX5 P09917 2/20 0.43
ALOX15 P16050 3/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
AR P10275 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
CYP2C9 P11712 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3287169 0.93 ALOX5 (0.47) ESR1ESR2PDCD1CD274ALOX5
SCHEMBL3289099 0.86 ESR1 (0.57) ESR1ESR2PDCD1CD274ALOX15
SCHEMBL2202101 0.85 ALOX5 (0.44) ESR1ESR2PDCD1CD274ALOX5
SCHEMBL5166281 0.82 ALDH1A1 (0.50) ESR1ESR2ALOX5ALOX15MAPT
SCHEMBL3291775 0.82 ESR1 (0.43) ESR1ESR2ALOX5ALOX15CYP3A4
Hydroquinone SCHEMBL3463105 0.80 ESR1 (0.54) ESR1ESR2ALOX5ALOX15CYP3A4
SCHEMBL920814 0.78 ESR1 (0.50) ESR1ESR2PDCD1CD274ALOX15
SCHEMBL30014025 0.78 ESR1 (0.55) ESR1ESR2ALOX5ALOX15CYP3A4
SCHEMBL70464 0.78 ESR1 (0.55) ESR1ESR2ALOX5ALOX15CYP3A4
SCHEMBL1986274 0.77 ALOX5 (0.46) ESR1ESR2ALOX5ALOX15TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718337-B2 Electrophotographic photoreceptor MITSUBISHI CHEMICAL CORPORATION (JP) 2010-05-18 US disclosed
US-20090081570-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR MITSUBISHI CHEMICAL CORPORATION (JP) 2009-03-26 US disclosed
US-7473507-B2 Electrophotographic photoreceptor with polyester resin in photosensitive layer MITSUBISHI CHEMICAL CORPORATION (JP) 2009-01-06 US disclosed
US-20060073400-A1 Electrophotographic photoreceptor MITSUBISHI CHEMICAL CORPORATION (JP) 2006-04-06 US disclosed